4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C71H100BBr2ClF3N15O7 — CID 157147547

IUPAC4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(F)nc2)OC1(C)C.CN(C)CCCl.CN(C)CCN1CCC(c2ccc(F)nc2)CC1=O.CN(C)CCN1CCC(c2ccc(N)nc2)CC1=O.CN(C)CCn1ccc(-c2ccc(F)nc2)cc1=O.CN(C)CCn1ccc(Br)cc1=O.O=c1cc(Br)cc[nH]1
InChIInChI=1S/C14H20FN3O.C14H16FN3O.C14H22N4O.C11H15BFNO2.C9H13BrN2O.C5H4BrNO.C4H10ClN/c3*1-17(2)7-8-18-6-5-11(9-14(18)19)12-3-4-13(15)16-10-12;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-11(2)5-6-12-4-3-8(10)7-9(12)13;6-4-1-2-7-5(8)3-4;1-6(2)4-3-5/h3-4,10-11H,5-9H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;3-4,10-11H,5-9H2,1-2H3,(H2,15,16);5-7H,1-4H3;3-4,7H,5-6H2,1-2H3;1-3H,(H,7,8);3-4H2,1-2H3
InChIKeyAKWKQLBKBBWASN-UHFFFAOYSA-N
MW1538.75 g/mol
LogP8.65
Rot. Bonds18

About 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 157147547) has the molecular formula C71H100BBr2ClF3N15O7 and a molecular weight of 1538.75 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID157147547
Molecular FormulaC71H100BBr2ClF3N15O7
Molecular Weight1538.75 g/mol
Exact Mass1535.60
IUPAC Name4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(F)nc2)OC1(C)C.CN(C)CCCl.CN(C)CCN1CCC(c2ccc(F)nc2)CC1=O.CN(C)CCN1CCC(c2ccc(N)nc2)CC1=O.CN(C)CCn1ccc(-c2ccc(F)nc2)cc1=O.CN(C)CCn1ccc(Br)cc1=O.O=c1cc(Br)cc[nH]1
InChIInChI=1S/C14H20FN3O.C14H16FN3O.C14H22N4O.C11H15BFNO2.C9H13BrN2O.C5H4BrNO.C4H10ClN/c3*1-17(2)7-8-18-6-5-11(9-14(18)19)12-3-4-13(15)16-10-12;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-11(2)5-6-12-4-3-8(10)7-9(12)13;6-4-1-2-7-5(8)3-4;1-6(2)4-3-5/h3-4,10-11H,5-9H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;3-4,10-11H,5-9H2,1-2H3,(H2,15,16);5-7H,1-4H3;3-4,7H,5-6H2,1-2H3;1-3H,(H,7,8);3-4H2,1-2H3
InChIKeyAKWKQLBKBBWASN-UHFFFAOYSA-N
XLogP8.65
TPSA229.72 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.75
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methylpyridine;6-[(E)-3-oxo-3-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2,2,2-trifluoro-1-(4-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 161108517
4-(6-Amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one;4-(6-amino-3-pyridinyl)-1-methylpiperidin-2-one;4-bromo-1-methylpyridin-2-one;4-(6-fluoro-3-pyridinyl)-1-methylpiperidin-2-one;4-(6-fluoro-3-pyridinyl)-1-methylpyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157716411
3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 158152171
5-(6-amino-5-bromo-3-pyridinyl)piperidin-2-one;5-(6-amino-3-pyridinyl)piperidin-2-one;5-bromo-1H-pyridin-2-one;5-bromo-1-(2-trimethylsilylethoxymethyl)pyridin-2-one;2-(chloromethoxy)ethyl-trimethylsilane;5-(6-fluoro-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)piperidin-2-one;5-(6-fluoro-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158181758
4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160108905

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 157147547) is 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(F)nc2)OC1(C)C.CN(C)CCCl.CN(C)CCN1CCC(c2ccc(F)nc2)CC1=O.CN(C)CCN1CCC(c2ccc(N)nc2)CC1=O.CN(C)CCn1ccc(-c2ccc(F)nc2)cc1=O.CN(C)CCn1ccc(Br)cc1=O.O=c1cc(Br)cc[nH]1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is AKWKQLBKBBWASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O.C14H16FN3O.C14H22N4O.C11H15BFNO2.C9H13BrN2O.C5H4BrNO.C4H10ClN/c3*1-17(2)7-8-18-6-5-11(9-14(18)19)12-3-4-13(15)16-10-12;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-11(2)5-6-12-4-3-8(10)7-9(12)13;6-4-1-2-7-5(8)3-4;1-6(2)4-3-5/h3-4,10-11H,5-9H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;3-4,10-11H,5-9H2,1-2H3,(H2,15,16);5-7H,1-4H3;3-4,7H,5-6H2,1-2H3;1-3H,(H,7,8);3-4H2,1-2H3.
What are the key properties of 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1538.75 g/mol, XLogP of 8.65, 18 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]piperidin-2-one;4-bromo-1-[2-(dimethylamino)ethyl]pyridin-2-one;4-bromo-1H-pyridin-2-one;2-chloro-N,N-dimethylethanamine;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)piperidin-2-one;1-[2-(dimethylamino)ethyl]-4-(6-fluoro-3-pyridinyl)pyridin-2-one;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 157147547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).